Mol:FL5F1GNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7962 -0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7962 -0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7962 -0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7962 -0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2957 -1.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2957 -1.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7953 -0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7953 -0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7953 -0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7953 -0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2957 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2957 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2948 -1.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2948 -1.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2056 -0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2056 -0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2056 -0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2056 -0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2948 0.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2948 0.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7057 0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7057 0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2361 -0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2361 -0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7664 0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7664 0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7664 0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7664 0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2361 1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2361 1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7057 0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7057 0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2948 -1.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2948 -1.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2963 1.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2963 1.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2963 -0.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2963 -0.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2963 0.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2963 0.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7057 -1.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7057 -1.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2361 1.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2361 1.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F1GNS0001 | + | ID FL5F1GNS0001 |
| − | KNApSAcK_ID C00001092 | + | KNApSAcK_ID C00001092 |
| − | NAME Robinetin | + | NAME Robinetin |
| − | CAS_RN 490-31-3 | + | CAS_RN 490-31-3 |
| − | FORMULA C15H10O7 | + | FORMULA C15H10O7 |
| − | EXACTMASS 302.042652674 | + | EXACTMASS 302.042652674 |
| − | AVERAGEMASS 302.2357 | + | AVERAGEMASS 302.2357 |
| − | SMILES Oc(c3)cc(O1)c(c3)C(=O)C(O)=C1c(c2)cc(O)c(O)c(O)2 | + | SMILES Oc(c3)cc(O1)c(c3)C(=O)C(O)=C1c(c2)cc(O)c(O)c(O)2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.7962 -0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7962 -0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2957 -1.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7953 -0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7953 -0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2957 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 -1.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2056 -0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2056 -0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 0.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7057 0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2361 -0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7664 0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7664 0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2361 1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7057 0.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 -1.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2963 1.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2963 -0.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2963 0.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7057 -1.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2361 1.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
14 18 1 0 0 0 0
13 19 1 0 0 0 0
1 20 1 0 0 0 0
8 21 1 0 0 0 0
15 22 1 0 0 0 0
S SKP 8
ID FL5F1GNS0001
KNApSAcK_ID C00001092
NAME Robinetin
CAS_RN 490-31-3
FORMULA C15H10O7
EXACTMASS 302.042652674
AVERAGEMASS 302.2357
SMILES Oc(c3)cc(O1)c(c3)C(=O)C(O)=C1c(c2)cc(O)c(O)c(O)2
M END
